CID 1184878

4-benzyl-n-(3-bromobenzylidene)piperazin-1-amine

Structural Information

Molecular Formula
C18H20BrN3
SMILES
C1CN(CCN1CC2=CC=CC=C2)N=CC3=CC(=CC=C3)Br
InChI
InChI=1S/C18H20BrN3/c19-18-8-4-7-17(13-18)14-20-22-11-9-21(10-12-22)15-16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2
InChIKey
RMVJSHOIENRKIK-UHFFFAOYSA-N
Compound name
N-(4-benzylpiperazin-1-yl)-1-(3-bromophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.08405 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.09133 176.8
[M+Na]+ 380.07327 184.3
[M-H]- 356.07677 185.9
[M+NH4]+ 375.11787 190.4
[M+K]+ 396.04721 171.4
[M+H-H2O]+ 340.08131 172.6
[M+HCOO]- 402.08225 194.5
[M+CH3COO]- 416.09790 188.0
[M+Na-2H]- 378.05872 182.4
[M]+ 357.08350 191.3
[M]- 357.08460 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.